# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Pd2WZr # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 4.307547224e+02 4.307547224e+02 1.30 4.003548742e+02 4.003548742e+02 1.32 3.721511445e+02 3.721511445e+02 1.34 3.459690203e+02 3.459690203e+02 1.36 3.216524117e+02 3.216524117e+02 1.38 2.990606788e+02 2.990606788e+02 1.40 2.780654889e+02 2.780654889e+02 1.42 2.585481259e+02 2.585481259e+02 1.44 2.403981339e+02 2.403981339e+02 1.46 2.235127845e+02 2.235127845e+02 1.48 2.077966307e+02 2.077966307e+02 1.50 1.931612501e+02 1.931612501e+02 1.52 1.795253003e+02 1.795253003e+02 1.54 1.668143216e+02 1.668143216e+02 1.56 1.549601447e+02 1.549601447e+02 1.58 1.438998781e+02 1.438998781e+02 1.60 1.335750928e+02 1.335750928e+02 1.62 1.239314773e+02 1.239314773e+02 1.64 1.149189759e+02 1.149189759e+02 1.66 1.064918833e+02 1.064918833e+02 1.68 9.860870022e+01 9.860870022e+01 1.70 9.123173424e+01 9.123173424e+01 1.72 8.432656636e+01 8.432656636e+01 1.74 7.786163535e+01 7.786163535e+01 1.76 7.180809982e+01 7.180809982e+01 1.78 6.613988788e+01 6.613988788e+01 1.80 6.083368327e+01 6.083368327e+01 1.82 5.586858859e+01 5.586858859e+01 1.84 5.122557182e+01 5.122557182e+01 1.86 4.688682250e+01 4.688682250e+01 1.88 4.283594042e+01 4.283594042e+01 1.90 3.905596622e+01 3.905596622e+01 1.92 3.552950058e+01 3.552950058e+01 1.94 3.225561839e+01 3.225561839e+01 1.96 2.922877238e+01 2.922877238e+01 1.98 2.642958260e+01 2.642958260e+01 2.00 2.384040092e+01 2.384040092e+01 2.02 2.144517617e+01 2.144517617e+01 2.04 1.922923164e+01 1.922923164e+01 2.06 1.717904684e+01 1.717904684e+01 2.08 1.528207938e+01 1.528207938e+01 2.10 1.352666392e+01 1.352666392e+01 2.12 1.190193208e+01 1.190193208e+01 2.14 1.039779272e+01 1.039779272e+01 2.16 9.004932788e+00 9.004932788e+00 2.18 7.714828039e+00 7.714828039e+00 2.20 6.519754565e+00 6.519754565e+00 2.22 5.412762055e+00 5.412762055e+00 2.24 4.387621672e+00 4.387621672e+00 2.26 3.438754538e+00 3.438754538e+00 2.28 2.561139486e+00 2.561139486e+00 2.30 1.750248159e+00 1.750248159e+00 2.32 1.001952259e+00 1.001952259e+00 2.34 3.124421119e-01 3.124421119e-01 2.36 -3.218458920e-01 -3.218458920e-01 2.38 -9.042963796e-01 -9.042963796e-01 2.40 -1.438167297e+00 -1.438167297e+00 2.42 -1.926629976e+00 -1.926629976e+00 2.44 -2.372783406e+00 -2.372783406e+00 2.46 -2.779654649e+00 -2.779654649e+00 2.48 -3.150172860e+00 -3.150172860e+00 2.50 -3.487126851e+00 -3.487126851e+00 2.52 -3.793050602e+00 -3.793050602e+00 2.54 -4.070316490e+00 -4.070316490e+00 2.56 -4.321116499e+00 -4.321116499e+00 2.58 -4.547366945e+00 -4.547366945e+00 2.60 -4.750732005e+00 -4.750732005e+00 2.62 -4.932689303e+00 -4.932689303e+00 2.64 -5.094572530e+00 -5.094572530e+00 2.66 -5.237466987e+00 -5.237466987e+00 2.68 -5.362370978e+00 -5.362370978e+00 2.70 -5.470089669e+00 -5.470089669e+00 2.72 -5.561362325e+00 -5.561362325e+00 2.74 -5.636961834e+00 -5.636961834e+00 2.76 -5.697681070e+00 -5.697681070e+00 2.78 -5.744187751e+00 -5.744187751e+00 2.80 -5.777035856e+00 -5.777035856e+00 2.82 -5.796805663e+00 -5.796805663e+00 2.84 -5.804109698e+00 -5.804109698e+00 2.86 -5.799586431e+00 -5.799586431e+00 2.88 -5.783900270e+00 -5.783900270e+00 2.90 -5.757743581e+00 -5.757743581e+00 2.92 -5.721838176e+00 -5.721838176e+00 2.94 -5.676934004e+00 -5.676934004e+00 2.96 -5.623803799e+00 -5.623803799e+00 2.98 -5.563233610e+00 -5.563233610e+00 3.00 -5.496022727e+00 -5.496022727e+00 3.02 -5.423457378e+00 -5.423457378e+00 3.04 -5.346316862e+00 -5.346316862e+00 3.06 -5.265037573e+00 -5.265037573e+00 3.08 -5.180041518e+00 -5.180041518e+00 3.10 -5.091734299e+00 -5.091734299e+00 3.12 -5.000486427e+00 -5.000486427e+00 3.14 -4.906633703e+00 -4.906633703e+00 3.16 -4.810460449e+00 -4.810460449e+00 3.18 -4.712217369e+00 -4.712217369e+00 3.20 -4.612183313e+00 -4.612183313e+00 3.22 -4.510631896e+00 -4.510631896e+00 3.24 -4.407800825e+00 -4.407800825e+00 3.26 -4.303904903e+00 -4.303904903e+00 3.28 -4.199149160e+00 -4.199149160e+00 3.30 -4.093740231e+00 -4.093740231e+00 3.32 -3.987894531e+00 -3.987894531e+00 3.34 -3.881842537e+00 -3.881842537e+00 3.36 -3.775829561e+00 -3.775829561e+00 3.38 -3.670114122e+00 -3.670114122e+00 3.40 -3.564964045e+00 -3.564964045e+00 3.42 -3.460657871e+00 -3.460657871e+00 3.44 -3.357473791e+00 -3.357473791e+00 3.46 -3.255690419e+00 -3.255690419e+00 3.48 -3.155579654e+00 -3.155579654e+00 3.50 -3.057399668e+00 -3.057399668e+00 3.52 -2.961387089e+00 -2.961387089e+00 3.54 -2.867749165e+00 -2.867749165e+00 3.56 -2.776656902e+00 -2.776656902e+00 3.58 -2.688239972e+00 -2.688239972e+00 3.60 -2.602583970e+00 -2.602583970e+00 3.62 -2.519730208e+00 -2.519730208e+00 3.64 -2.439677901e+00 -2.439677901e+00 3.66 -2.362388401e+00 -2.362388401e+00 3.68 -2.287790943e+00 -2.287790943e+00 3.70 -2.215789392e+00 -2.215789392e+00 3.72 -2.146269458e+00 -2.146269458e+00 3.74 -2.079105965e+00 -2.079105965e+00 3.76 -2.014169758e+00 -2.014169758e+00 3.78 -1.951333939e+00 -1.951333939e+00 3.80 -1.890479083e+00 -1.890479083e+00 3.82 -1.831497145e+00 -1.831497145e+00 3.84 -1.774293796e+00 -1.774293796e+00 3.86 -1.718789041e+00 -1.718789041e+00 3.88 -1.664916204e+00 -1.664916204e+00 3.90 -1.612619572e+00 -1.612619572e+00 3.92 -1.561849341e+00 -1.561849341e+00 3.94 -1.512566568e+00 -1.512566568e+00 3.96 -1.464727691e+00 -1.464727691e+00 3.98 -1.418292074e+00 -1.418292074e+00 4.00 -1.373219221e+00 -1.373219221e+00 4.02 -1.329469423e+00 -1.329469423e+00 4.04 -1.287005030e+00 -1.287005030e+00 4.06 -1.245791834e+00 -1.245791834e+00 4.08 -1.205800131e+00 -1.205800131e+00 4.10 -1.167001239e+00 -1.167001239e+00 4.12 -1.129383508e+00 -1.129383508e+00 4.14 -1.092925384e+00 -1.092925384e+00 4.16 -1.057611958e+00 -1.057611958e+00 4.18 -1.023428177e+00 -1.023428177e+00 4.20 -9.903569288e-01 -9.903569288e-01 4.22 -9.583774143e-01 -9.583774143e-01 4.24 -9.274640268e-01 -9.274640268e-01 4.26 -8.975858168e-01 -8.975858168e-01 4.28 -8.687065359e-01 -8.687065359e-01 4.30 -8.407851640e-01 -8.407851640e-01 4.32 -8.137767746e-01 -8.137767746e-01 4.34 -7.876335842e-01 -7.876335842e-01 4.36 -7.623060461e-01 -7.623060461e-01 4.38 -7.377438879e-01 -7.377438879e-01 4.40 -7.138970310e-01 -7.138970310e-01 4.42 -6.907163722e-01 -6.907163722e-01 4.44 -6.681544337e-01 -6.681544337e-01 4.46 -6.461659115e-01 -6.461659115e-01 4.48 -6.247081591e-01 -6.247081591e-01 4.50 -6.037416465e-01 -6.037416465e-01 4.52 -5.832304283e-01 -5.832304283e-01 4.54 -5.631426445e-01 -5.631426445e-01 4.56 -5.434510643e-01 -5.434510643e-01 4.58 -5.241336638e-01 -5.241336638e-01 4.60 -5.051742110e-01 -5.051742110e-01 4.62 -4.865628106e-01 -4.865628106e-01 4.64 -4.682963446e-01 -4.682963446e-01 4.66 -4.503787280e-01 -4.503787280e-01 4.68 -4.328208976e-01 -4.328208976e-01 4.70 -4.156404562e-01 -4.156404562e-01 4.72 -3.988609185e-01 -3.988609185e-01 4.74 -3.825105382e-01 -3.825105382e-01 4.76 -3.666207475e-01 -3.666207475e-01 4.78 -3.512242921e-01 -3.512242921e-01 4.80 -3.363500476e-01 -3.363500476e-01 4.82 -3.220340912e-01 -3.220340912e-01 4.84 -3.082972687e-01 -3.082972687e-01 4.86 -2.951580426e-01 -2.951580426e-01 4.88 -2.826276293e-01 -2.826276293e-01 4.90 -2.707094521e-01 -2.707094521e-01 4.92 -2.593991227e-01 -2.593991227e-01 4.94 -2.486848959e-01 -2.486848959e-01 4.96 -2.385484998e-01 -2.385484998e-01 4.98 -2.289662221e-01 -2.289662221e-01 5.00 -2.199101277e-01 -2.199101277e-01 5.02 -2.113492956e-01 -2.113492956e-01 5.04 -2.032508274e-01 -2.032508274e-01 5.06 -1.955811473e-01 -1.955811473e-01 5.08 -1.883070093e-01 -1.883070093e-01 5.10 -1.813958669e-01 -1.813958669e-01 5.12 -1.748164360e-01 -1.748164360e-01 5.14 -1.685390947e-01 -1.685390947e-01 5.16 -1.625361506e-01 -1.625361506e-01 5.18 -1.567820020e-01 -1.567820020e-01 5.20 -1.512532239e-01 -1.512532239e-01 5.22 -1.459286039e-01 -1.459286039e-01 5.24 -1.407891482e-01 -1.407891482e-01 5.26 -1.358180730e-01 -1.358180730e-01 5.28 -1.310007919e-01 -1.310007919e-01 5.30 -1.263249027e-01 -1.263249027e-01 5.32 -1.217801725e-01 -1.217801725e-01 5.34 -1.173585147e-01 -1.173585147e-01 5.36 -1.130539476e-01 -1.130539476e-01 5.38 -1.088625215e-01 -1.088625215e-01 5.40 -1.047821990e-01 -1.047821990e-01 5.42 -1.008126789e-01 -1.008126789e-01 5.44 -9.695515253e-02 -9.695515253e-02 5.46 -9.321199606e-02 -9.321199606e-02 5.48 -8.958640323e-02 -8.958640323e-02 5.50 -8.608197886e-02 -8.608197886e-02 5.52 -8.270231832e-02 -8.270231832e-02 5.54 -7.945060303e-02 -7.945060303e-02 5.56 -7.632924308e-02 -7.632924308e-02 5.58 -7.333959383e-02 -7.333959383e-02 5.60 -7.048168536e-02 -7.048168536e-02 5.62 -6.775420381e-02 -6.775420381e-02 5.64 -6.515469159e-02 -6.515469159e-02 5.66 -6.267941763e-02 -6.267941763e-02 5.68 -6.032353339e-02 -6.032353339e-02 5.70 -5.808127570e-02 -5.808127570e-02 5.72 -5.594618819e-02 -5.594618819e-02 5.74 -5.391134135e-02 -5.391134135e-02 5.76 -5.196953647e-02 -5.196953647e-02 5.78 -5.011348348e-02 -5.011348348e-02 5.80 -4.833594757e-02 -4.833594757e-02 5.82 -4.662986368e-02 -4.662986368e-02 5.84 -4.498842078e-02 -4.498842078e-02 5.86 -4.340511968e-02 -4.340511968e-02 5.88 -4.187380937e-02 -4.187380937e-02 5.90 -4.038870709e-02 -4.038870709e-02 5.92 -3.894440718e-02 -3.894440718e-02 5.94 -3.753588334e-02 -3.753588334e-02 5.96 -3.615848854e-02 -3.615848854e-02 5.98 -3.480795577e-02 -3.480795577e-02 6.00 -3.348040089e-02 -3.348040089e-02